Geometry & MOs

Info

ID:	252953
PubChem CID:	103115127
Reduced:	O2N8C11H12 (1)
Stoich.:	A2B8C11D12 (1)
Weight, g/mol:	279.133139
ΔH_f, kcal/mol:	64.95
Dipole, Da:	2.76
IP(EA), eV:	-9.77(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-hydroxy-3-methylbutyl)-5-(1-methylpyrazol-4-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=C(N=NN2CC3=NC=NN3C)C(=O)O

DOS

IR

Vibrations